SCHEMBL5049223

SCHEMBL5049223

CC(C)(C)C[C@](N)(NC(=O)OCc1ccccc1)C(=O)NCC(C)(C)OC(=O)CCC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
CTSS P25774 2/20 0.40
SYK P43405 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
FKBP1A P62942 1/20 0.37
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
KAT2B Q92831 1/20 0.35
CPB1 P15086 1/20 0.35
GAA P10253 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5049222 0.79 CTSS (0.39) CTSSSYKMEN1KMT2ACTSL
SCHEMBL5049218 0.79 CTSS (0.39) CTSSSYKMEN1KMT2ACTSL
SCHEMBL3826896 0.76 CTSS (0.41) CTSSSYKMEN1KMT2ACTSL
SCHEMBL5048223 0.74 PPARA (0.44) CTSSSYKMEN1KMT2ACTSL
SCHEMBL3826892 0.74 SYK (0.43) CTSSSYKMEN1KMT2ACTSL
SCHEMBL5049224 0.72 SMN1; SMN2 (0.38) CTSSSYKMEN1KMT2ACTSL
SCHEMBL22829843 0.70 HTT (0.47) HTTCTSSSYKMEN1KMT2A
SCHEMBL643209 0.69 SYK (0.46) HTTCTSSSYKMEN1KMT2A
SCHEMBL6621103 0.69 HTT (0.74) HTTSYKMEN1KMT2AMAPT
SCHEMBL27976421 0.69 SMN1; SMN2 (0.50) HTTCTSSSYKMEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7368424-B2 Acylated nonadepsipeptides AICURIS GMBH & CO. KG (DE) 2008-05-06 US disclosed
US-20050075281-A1 peptide antibiotics comprising lysobactin derivatives used for treatment and/or prophylaxis of bacterial infectious diseases; cyclic peptides BAYER HEALTHCARE AG (DE) 2005-04-07 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050075281-A1 peptide antibiotics comprising lysobactin derivatives used for treatment and/or prophylaxis of bacterial infectious diseases; cyclic peptides VIP, LNPEP, HAMP HTT 565/4885CTSS 459/4885SYK 1451/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.